Vitas-M small molecule compound

(2E)-2-[(4-benzylpiperazin-1-yl)carbonyl]-3-{2-[(4-bromobenzyl)oxy]naphthalen-1-yl}prop-2-enenitrile

Catalog ID
STK177516
SMILES N#C/C(=C\c1c(OCc2ccc(cc2)Br)ccc2c1cccc2)/C(=O)N1CCN(CC1)Cc1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C32H28BrN3O2 MW 566.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28BrN3O2/c33-28-13-10-25(11-14-28)23-38-31-15-12-26-8-4-5-9-29(26)30(31)20-27(21-34)32(37)36-18-16-35(17-19-36)22-24-6-2-1-3-7-24/h1-15,20H,16-19,22-23H2/b27-20+
InChIKey
MAVUSCRCTMDYMQ-NHFJDJAPSA-N
Synonyms

(2E)2((4BENZYLPIPERAZIN1YL)CARBONYL)3(2((4BROMOBENZYL)OXY)NAPHTHALEN1YL)PROP2ENENITRILE
(E)2(4benzylpiperazine1carbonyl)3(2((4bromophenyl)methoxy)naphthalen1yl)prop2enenitrile
C1CN(CCN1CC2=CC=CC=C2)C(=O)C(=CC3=C(C=CC4=CC=CC=C43)OCC5=CC=C(C=C5)Br)C#N
InChI=1SC32H28BrN3O2c3328131025(111428)233831151226845929(26)30(31)2027(2134)32(37)36181635(171936)22246213724h11520H16192223H2b2720+
MFCD06663784
N#CC(=Cc1c(OCc2ccc(cc2)Br)ccc2c1cccc2)C(=O)N1CCN(CC1)Cc1ccccc1
ZINC000097960630
ZINC97960630

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Available files

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